Information card for entry 1568505

Structure parameters

• Formula: C42 H47 Co N12 O25 V6 Zn
• Calculated formula: C42 H39 Co N12 O23 V6 Zn
• Title of publication: Redox and guest tunable spin-crossover properties in a polymeric polyoxometalate.
• Authors of publication: Palacios-Corella, Mario; García-López, Víctor; Waerenborgh, Joao Carlos; Vieira, Bruno J. C.; Mínguez Espallargas, Guillermo; Clemente-León, Miguel; Coronado, Eugenio
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 3048 - 3055
• a: 13.0369 ± 0.0018 Å
• b: 27.261 ± 0.003 Å
• c: 18.467 ± 0.003 Å
• α: 90°
• β: 105.569 ± 0.015°
• γ: 90°
• Cell volume: 6322.3 ± 1.6 ų
• Cell temperature: 119 ± 1 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.195
• Residual factor for significantly intense reflections: 0.1281
• Weighted residual factors for significantly intense reflections: 0.3164
• Weighted residual factors for all reflections included in the refinement: 0.3634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No